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Vecuronium (bromide)

CAT: 0804-HY-B0118A-01Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-B0118A-01Size:10 mM - 1 mL
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Description
Vecuronium (ORG NC 45) bromide is a non-depolarizing neuromuscular blocking agent that also acts as a nicotinic acetylcholine receptor (nAChR) inhibitor, a muscle relaxant, and can be used for pre-surgical anesthesia[1][2].
CAS Number
50700-72-6
Product Name Alternative
ORG NC 45
UNSPSC
12352005
Hazard Statement
H302
Target
NAChR
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Cancer; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/vecuronium-bromide.html
Concentration
10mM
Purity
99.93
Solubility
DMSO : 83.33 mg/mL (ultrasonic) |H2O : ≥ 100 mg/mL
Smiles
C[C@@]1([C@H]2OC(C)=O)[C@](C[C@@H]2[N+]3(CCCCC3)C)([H])[C@@](CC[C@]4([H])[C@@]5(C[C@H](N6CCCCC6)[C@@H](OC(C)=O)C4)C)([H])[C@]5([H])CC1.[Br-]
Molecular Formula
C34H57BrN2O4
Molecular Weight
637.73
Precautions
H302
References & Citations
[1]Meretoja, O.A., Vecuronium infusion requirements in pediatric patients during fentanyl-N2O-O2 anesthesia. Anesth Analg, 1989. 68 (1) : p. 20-4.|[2]Agoston, S., et al., The neuromuscular blocking action of ORG NC 45, a new pancuronium derivative, in anaesthetized patients. A pilot study. Br J Anaesth, 1980. 52 Suppl 1: p. 53S-59S.|[3]Shingu, K., et al., [Neuromuscular blocking effects of Org 9426 (rocuronium bromide) ; a comparative study with vecuronium bromide in Japanese patients]. Masui, 2006. 55 (9) : p. 1140-8.|[4]K Uryu, et al. Inhibition by neuromuscular blocking drugs of norepinephrine transporter in cultured bovine adrenal medullary cells. Anesth Analg. 2000 Sep;91 (3) :546-51.|[5]Iddrisu BabaYabasin, et al. Anticancer effects of vecuronium bromide and cisatracurium besylate on lung cancer cells (A549), in vitro. Biomedicine & Aging Pathology, Volume 4, Issue 4, |[6]Ayuko Igarashi, et al. Vecuronium directly inhibits hypoxic neurotransmission of the rat carotid body. Anesth Analg. 2002 Jan;94 (1) :117-22, table of contents.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Vecuronium Bromide

Vecuronium bromide is the organic bromide salt of a 5alpha-androstane compound having 3alpha-acetoxy-, 17beta-acetoxy-, 2beta-piperidinino- and 16beta-N-methylpiperidinium substituents. It has a role as a nicotinic antagonist, a muscle relaxant and a neuromuscular agent. It is a quaternary ammonium salt and an organic bromide salt. It contains a vecuronium. It is functionally related to a 5alpha-androstane.

CAS Number50700-72-6
PubChem CID39764
IUPAC Name[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate bromide
Molecular FormulaC34H57BrN2O4
Molecular Weight637.7
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count41
Formal Charge0
Complexity958
SMILES
CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CCCCC4)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-]
InChI
InChI=1S/C34H57N2O4.BrH/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36;/h25-32H,6-22H2,1-5H3;1H/q+1;/p-1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-;/m0./s1
InChIKey
VEPSYABRBFXYIB-PWXDFCLTSA-M
Chemical Structure
2D Structure
2D structure of Vecuronium Bromide
CAS: 50700-72-6
CID: 39764
Formula: C34H57BrN2O4
MW: 637.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight637.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass636.35017
Monoisotopic Mass636.35017
Topological Polar Surface Area55.8 Ų
Heavy Atom Count41
Formal Charge0
Complexity958
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
T1594-01Vecuronium bromide

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